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Molecular Modeling ProThis advanced molecular modeling program is the result of over 20 years of development at a major chemical company. Molecular Modeling Pro has most of the advanced features available in expensive PC-based molecular modeling programs and more! It probably has the most physical property calculations from structure of any program sold for the PC.

Molecules are easily constructed with your mouse and pull-down menus. The program can display molecules as wire frame, ball and stick, spheres and dot surface models. Up to 5000 atoms and 40 molecules can be displayed on the screen at a time and minimized using the MOLY minimizer. In addition, for those with WIN 95/98 or WIN NT an MM2 minimizer and minimization with MOPAC 6.0 is also included. The AMBER minimizer in ChemSite Pro is also accessible from within MMP (requires ChemSite Pro). Routines for conformational analysis are also included.

ChemcraftChemcraft is a graphical program for working with quantum chemistry computations. It is a convenient tool for visualization of computed results and preparing new jobs for the calculation. Chemcraft is mainly developed as a graphical user interface for Gamess and Gaussian program packages.

For working with other formats of calculations, the possibility to import/export coordinates of atoms in text format can be easily used. Chemcraft does not perform its own calculations, but can significantly facilitate the use of widespread quantum chemistry packages. Chemcraft works under Windows and Linux (but the Linux version has some disadvantages).

The main capabilities of the program include:

* Rendering 3-dimensional pictures of molecules by atomic coordinates with the possibility to examine or modify any geometrical parameter in the molecule (distance, angle); * Visualization of Gamess, Gaussian, NWChem, ADF, Molpro, Dalton, Jaguar, Orca output files: representation of individual geometries from the file (optimized structure, geometry at each optimization step, etc), animation of vibrational modes, graphicalrepresentation of gradient (forces on nucleus), visualization of molecular orbitals in the form of isosurfaces or colored planes, visualization of vibrational or electronic (e.g. TDDFT) spectra, possibility to show SCF convergence graph, and some other features; * Different tools for constructing molecules and modifying molecular geometry: using standard molecular fragments, "dragging" atoms or fragments on the molecule's image, utility for setting a point group, and other possibilities; * Producing publication-ready images of molecules in customizable display modes, containing required designations (labels, lines, etc); * Some additional utilities for preparing input files: visual construction of Z-matrixes, automatic generation of input files with non-standard basis sets, converting MOs read from an output file into the format of input file.

The program combines advanced graphical user interface and wholesome features designed for practical use. Chemcraft provides very detailed structured visualization of output files, based on dividing a file into separate elements and presenting them in hierarchical multi-level list; this feature allows one to easily analyze complicated files, such as scan jobs, IRC jobs, or multi-jobcalculations. The graphical engine of Chemcraft does not require any hardware acceleration.

HyperChem V8.0[img][/img]HyperChem is a sophisticated molecular modeling environment that is known for its quality, flexibility, and ease of use. Uniting 3D visualization and animation with quantum chemical calculations, molecular mechanics, and dynamics, HyperChem puts moremolecular modeling tools at your fingertips than any other Windows program.

HyperChem 8 has been prepared to provide reliable computation in this new environment. In some cases, however, manufacturers’ graphics drivers (OpenGL drivers) have not proved to yet be up to the earlier standards of Windows XP. Where problems have been seen, installation of a new driver from the graphics card manufacturer has often eliminated any problem. To use HyperChem effectively, one should have a good graphics card and a compatible newer driver. Any graphics hardware should be sufficient to run HyperChem. However, inexpensive machines will often have graphics hardware, included on the motherboard, that results in relatively slow manipulation of large molecules, compared to that with a modern 3rd-partygraphics card.

Third-Party InterfacesNew Batch CapabilitiesUniversal Use of Double PrecisionUndo and Redo Capabilities for Model BuildingEasy Access to Molecules via a Recent File ListGeometric Measurement Involving Points, Lines, and PlanesA Chemical Substituent OperationRevised Toolbar with Easier Access to Model BuildingCalculation of Entropies and Free EnergiesCalculation of Heat CapacitiesCalculation of Zero-Point EnergiesComputation of Rate ConstantsComputation of Equilibrium ConstantsNew Semi-empirical Method, RM1Further Capabilities for MP2 Perturbation EnergiesSeparation of Configuration Interaction from Single PointsDisplay of Line Width Envelopes for IR and UV SpectraSeparation of MM-QM Capabilities from Current Selection

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--------------------------------------------------------------------------------------------------------CHEMIX School v3.50CHEMIX School is an educational tool for learning chemistry. It is geared toward college-level chemistry, but is also appropriate for high-school students, chemists, and teachers. It is equipped with a periodic table containing history, 19 physical properties + number of stable isotopes, abundance, atomic mass, spin, resonance frequencies, relative receptivity, magnetic moment, quadropole moment and magnetogyric ratio for all stable isotopes.

This is a tool assisting laboratory technicians and scientists in preparing chemical reagents and solutions.This program will calculate & instruct you in how to prepare.....

1. Molar solutions, by using built in atomic weights.

2. Percentage solutions from stock solutions.

3. Anhydrous solutions.

You can print out the instructions for your desired solution, as well as a label to fix to your preparation. You will find the program extremely simple to use with minimal training required. Making solutions has never been easier!